2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one

C11H13BrN2OS — CID 69364754

IUPAC2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one
SMILESCC(C)Cc1nn(C)c(=O)c2cc(Br)sc12
InChIInChI=1S/C11H13BrN2OS/c1-6(2)4-8-10-7(5-9(12)16-10)11(15)14(3)13-8/h5-6H,4H2,1-3H3
InChIKeyFRRXBYAGIZMTDZ-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.96
Rot. Bonds2

About 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one

2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one (PubChem CID 69364754) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one
PubChem CID69364754
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one
SMILESCC(C)Cc1nn(C)c(=O)c2cc(Br)sc12
InChIInChI=1S/C11H13BrN2OS/c1-6(2)4-8-10-7(5-9(12)16-10)11(15)14(3)13-8/h5-6H,4H2,1-3H3
InChIKeyFRRXBYAGIZMTDZ-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one?
The IUPAC name of 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one (CID 69364754) is 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one is CC(C)Cc1nn(C)c(=O)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one?
The InChIKey is FRRXBYAGIZMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-6(2)4-8-10-7(5-9(12)16-10)11(15)14(3)13-8/h5-6H,4H2,1-3H3.
What are the key properties of 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one?
2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one has a molecular weight of 301.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 69364754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).